4-methylsulfanyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole

Systemtic Name: 4-methylsulfanyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Openeye Name: 4-methylsulfanyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole CAS Name: 4-(methylthio)-2-(1-piperazin-4-iumyl)-1,3-benzothiazole IUPAC Name: 4-methylsulfanyl-2-piperazin-4-ium-1-yl-1,3-benzothiazole Traditional Name: 4-(methylthio)-2-piperazin-4-ium-1-yl-1,3-benzothiazole Formula: C12H16N3S2+ MolecularWeight: 266.40554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N3CC[NH2+]CC3

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N3CC[NH2+]CC3

InChI

InChI=1S/C12H15N3S2/c1-16-9-3-2-4-10-11(9)14-12(17-10)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3/p+1